N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine

C13H27NO — CID 115893443

IUPACN-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
SMILESCCCCC(COC)NCCC1CCC1
InChIInChI=1S/C13H27NO/c1-3-4-8-13(11-15-2)14-10-9-12-6-5-7-12/h12-14H,3-11H2,1-2H3
InChIKeyPGHNYIQFLKPFCG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds9

About N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine

N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine (PubChem CID 115893443) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
PubChem CID115893443
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
SMILESCCCCC(COC)NCCC1CCC1
InChIInChI=1S/C13H27NO/c1-3-4-8-13(11-15-2)14-10-9-12-6-5-7-12/h12-14H,3-11H2,1-2H3
InChIKeyPGHNYIQFLKPFCG-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentylethyl)heptan-3-amine
CID 63945725
1-methoxy-6-(oxan-4-yl)-N-propylhexan-2-amine
CID 114192090
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
6-(2-cyclobutylethoxy)-N-propylhexan-3-amine
CID 106201058
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine
CID 115720755
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
4-cyclopentyl-1-methoxy-N-methylbutan-2-amine
CID 62320367
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine?
The IUPAC name of N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine (CID 115893443) is N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine?
The canonical SMILES for N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine is CCCCC(COC)NCCC1CCC1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine?
The InChIKey is PGHNYIQFLKPFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-8-13(11-15-2)14-10-9-12-6-5-7-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine?
N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine is sourced from PubChem (CID 115893443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).